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The title compound, [Ce(NO3)3(C2H6O)(C18H15OP)2], contains discrete mol­ecules with nine-coordinate Ce atoms having all nitrate groups bonded as symmetrical bidentate ligands [Ce-O(P) 2.369 (2) and 2.385 (2), Ce-O(N) 2.549 (3)-2.596 (3) and Ce-O(Et) 2.515 (3) Å].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100010842/gs1104sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100010842/gs1104Isup2.hkl
Contains datablock I

CCDC reference: 153872

Computing details top

Data collection: MSC/AFC7S Diffractometer Control Software (Molecular Structure Corporation, 1988); cell refinement: MSC/AFC7S Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1997); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976).

Tris(nitrato-O,O')bis(triphenylphosphineoxide-O)(ethanol-O)-cerium(III) top
Crystal data top
[Ce(NO3)3(C2H6O)(C18H15OP)2]F(000) = 1876
Mr = 928.76Dx = 1.528 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 17.202 (2) ÅCell parameters from 25 reflections
b = 10.9235 (18) Åθ = 11.8–15.6°
c = 22.3209 (16) ŵ = 1.27 mm1
β = 105.667 (7)°T = 298 K
V = 4038.4 (9) Å3Plate, colourless
Z = 40.50 × 0.40 × 0.15 mm
Data collection top
Rigaku AFC7S
diffractometer
5317 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.058
Graphite monochromatorθmax = 25.0°, θmin = 2.1°
ω/2θ scansh = 020
Absorption correction: empirical (using intensity measurements)
ψ scan. (North et al., 1968)
k = 012
Tmin = 0.587, Tmax = 0.826l = 2625
7353 measured reflections3 standard reflections every 150 reflections
7102 independent reflections intensity decay: none
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091Only H-atom displacement parameters refined
S = 1.03 w = 1/[σ2(Fo2) + (0.050P)2]
where P = (Fo2 + 2Fc2)/3
7102 reflections(Δ/σ)max = 0.006
504 parametersΔρmax = 0.44 e Å3
4 restraintsΔρmin = 0.85 e Å3
Special details top

Experimental. Preparation of [Ce(Ph3PO)2(EtOH)(NO3)3]. A boiling ethanol solution (20 cm3) of cerium(III) nitrate hexahydrate (0.43 g, 1.0 mmol) was added to a boiling solution of Ph3PO (0.56 g, 2.0 mmol) in ethanol (20 cm3) and the mixture boiled for 10 min. On cooling to room temperature, white crystals separated which were filtered off after 24 h. Yield 0.55 g, 60%. (Found: C, 49.0; H, 3.4; N, 4.45. Calc. for C38H36CeN3O12P2: C, 49.1; H, 3.7; N, 4.5%). IR (cm-1) (Nujol mull) 3330(br), 1301, 1157 (PO), 1145 (PO), 1120, 1087, 1027, 816, 691, 540. 31P{1H} NMR (300 K, CH2Cl2) δ 72.0. 1H NMR (300 K, CDCl3) 1.35(t), 3.7(q), 7.35–7.7(m), 8.9.

Crystal glued to glass fibre for X-ray examination.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement on F2 for ALL reflections except for 0 with very negative F2 or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

The ethyl group originally had a very short C—C distance with elongated anisotropic adps and was later modelled as two disordered sites for both C atoms with restraints used on the O—C and C—C distances.

All but two phenyl H atoms were located in the electron density maps. Hydrogen atoms were included in the model in calculated positions with a common refined adp. No H of the OH group was included.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ce10.935986 (11)0.845034 (17)0.122261 (9)0.03401 (8)
P10.98415 (6)1.09819 (9)0.24675 (4)0.0402 (2)
P20.74181 (6)1.01207 (9)0.03350 (4)0.0403 (2)
O10.96965 (16)0.9874 (2)0.20534 (12)0.0494 (7)
O20.82402 (15)0.9676 (2)0.06868 (12)0.0486 (6)
O31.1312 (2)1.0384 (3)0.08543 (18)0.0833 (11)
O41.08556 (17)0.8855 (3)0.12796 (15)0.0591 (8)
O51.00307 (17)1.0194 (3)0.07483 (13)0.0557 (7)
O60.7300 (2)0.6832 (4)0.15403 (18)0.0848 (11)
O70.81930 (18)0.6931 (3)0.10229 (14)0.0564 (7)
O80.83481 (19)0.8009 (3)0.18607 (14)0.0644 (8)
O91.0696 (2)0.5352 (3)0.20339 (17)0.0829 (11)
O101.0130 (2)0.7093 (3)0.21247 (13)0.0712 (9)
O111.0044 (2)0.6359 (3)0.12186 (14)0.0615 (8)
O120.9226 (2)0.7860 (3)0.01102 (13)0.0636 (8)
N11.0746 (2)0.9828 (3)0.09604 (16)0.0536 (9)
N20.7927 (2)0.7247 (3)0.14777 (16)0.0518 (8)
N31.0298 (2)0.6236 (3)0.17991 (18)0.0539 (9)
C11.0874 (2)1.1462 (3)0.26268 (18)0.0442 (9)
C21.1107 (3)1.2674 (4)0.2757 (2)0.0556 (11)
H21.07201.32710.27530.088 (3)*
C31.1918 (3)1.2991 (5)0.2893 (2)0.0680 (13)
H31.20741.38000.29830.088 (3)*
C41.2484 (3)1.2125 (6)0.2895 (2)0.0810 (16)
H41.30241.23500.29790.088 (3)*
C51.2268 (3)1.0907 (5)0.2774 (3)0.0789 (15)
H51.26611.03160.27840.088 (3)*
C61.1459 (3)1.0582 (4)0.2637 (2)0.0608 (12)
H61.13090.97700.25520.088 (3)*
C70.9631 (2)1.0616 (4)0.31972 (16)0.0441 (9)
C80.9300 (3)0.9493 (4)0.3270 (2)0.0589 (11)
H80.92080.89190.29500.088 (3)*
C90.9105 (3)0.9221 (5)0.3814 (2)0.0731 (14)
H90.88780.84660.38620.088 (3)*
C100.9245 (3)1.0054 (6)0.4282 (2)0.0750 (15)
H100.91100.98680.46480.088 (3)*
C110.9583 (3)1.1170 (6)0.4222 (2)0.0717 (14)
H110.96761.17320.45460.088 (3)*
C120.9783 (3)1.1458 (4)0.3680 (2)0.0599 (11)
H121.00191.22090.36390.088 (3)*
C130.9208 (2)1.2232 (4)0.21345 (18)0.0474 (9)
C140.9308 (3)1.2779 (5)0.1594 (2)0.0703 (13)
H140.97271.25250.14330.088 (3)*
C150.8796 (4)1.3688 (5)0.1299 (3)0.0824 (16)
H150.88741.40570.09450.088 (3)*
C160.8168 (3)1.4052 (5)0.1527 (3)0.0776 (15)
H160.78161.46570.13210.088 (3)*
C170.8055 (3)1.3534 (5)0.2054 (3)0.0790 (16)
H170.76291.37880.22060.088 (3)*
C180.8576 (3)1.2630 (4)0.2361 (2)0.0592 (11)
H180.85011.22860.27230.088 (3)*
C190.6766 (2)1.0275 (4)0.08375 (17)0.0459 (9)
C200.5950 (3)1.0049 (6)0.0655 (2)0.0760 (16)
H200.57120.97530.02570.088 (3)*
C210.5480 (3)1.0256 (6)0.1060 (2)0.0914 (19)
H210.49281.00990.09290.088 (3)*
C220.5812 (3)1.0685 (5)0.1644 (2)0.0769 (15)
H220.54901.08410.19100.088 (3)*
C230.6629 (4)1.0886 (5)0.1836 (2)0.0809 (15)
H230.68661.11590.22390.088 (3)*
C240.7106 (3)1.0685 (5)0.1433 (2)0.0661 (13)
H240.76581.08290.15670.088 (3)*
C250.6929 (2)0.9129 (4)0.02940 (17)0.0429 (9)
C260.6693 (3)0.7952 (4)0.0162 (2)0.0611 (11)
H260.67840.76930.02480.088 (3)*
C270.6322 (3)0.7178 (5)0.0647 (3)0.0774 (14)
H270.61460.64090.05620.088 (3)*
C280.6213 (3)0.7543 (5)0.1254 (2)0.0769 (15)
H280.59730.70120.15770.088 (3)*
C290.6455 (3)0.8678 (5)0.1387 (2)0.0714 (14)
H290.63790.89190.17990.088 (3)*
C300.6811 (3)0.9460 (4)0.09110 (19)0.0572 (11)
H300.69761.02310.10050.088 (3)*
C310.7487 (2)1.1606 (3)0.00056 (18)0.0440 (9)
C320.6832 (3)1.2368 (4)0.0170 (2)0.0646 (12)
H320.63431.21390.01000.088 (3)*
C330.6898 (3)1.3478 (4)0.0449 (3)0.0756 (15)
H330.64501.39910.05650.088 (3)*
C340.7606 (4)1.3833 (5)0.0558 (2)0.0745 (14)
H340.76431.45810.07480.088 (3)*
C350.8271 (3)1.3066 (5)0.0383 (3)0.0770 (15)
H350.87561.32970.04590.088 (3)*
C360.8217 (3)1.1958 (4)0.0096 (2)0.0591 (11)
H360.86671.14520.00280.088 (3)*
C37A0.9266 (9)0.6708 (11)0.0189 (6)0.102 (4)*0.50
H37A0.90970.60650.00480.088 (3)*0.50
H37B0.98220.65490.01840.088 (3)*0.50
C38A0.8749 (8)0.6647 (12)0.0854 (6)0.097 (4)*0.50
H38A0.86780.58080.09850.088 (3)*0.50
H38B0.90090.70870.11180.088 (3)*0.50
H38C0.82320.70090.08810.088 (3)*0.50
C37B0.8814 (6)0.6772 (7)0.0212 (4)0.052 (2)*0.50
H37C0.82530.69610.04130.088 (3)*0.50
H37D0.88310.61160.00840.088 (3)*0.50
C38B0.9236 (8)0.6383 (11)0.0688 (6)0.083 (3)*0.50
H38D0.89560.57010.09210.088 (3)*0.50
H38E0.97810.61480.04830.088 (3)*0.50
H38F0.92420.70520.09660.088 (3)*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ce10.03297 (12)0.03499 (12)0.03387 (12)0.00191 (9)0.00869 (8)0.00204 (9)
P10.0409 (5)0.0418 (5)0.0387 (5)0.0030 (4)0.0124 (4)0.0039 (4)
P20.0315 (5)0.0451 (5)0.0413 (5)0.0034 (4)0.0046 (4)0.0008 (4)
O10.0530 (16)0.0490 (15)0.0467 (15)0.0081 (13)0.0144 (13)0.0110 (12)
O20.0348 (14)0.0511 (15)0.0532 (16)0.0042 (12)0.0004 (12)0.0014 (13)
O30.064 (2)0.081 (2)0.118 (3)0.0157 (18)0.049 (2)0.016 (2)
O40.0447 (16)0.0588 (18)0.078 (2)0.0067 (14)0.0233 (15)0.0107 (16)
O50.0461 (17)0.0575 (17)0.0615 (18)0.0020 (14)0.0111 (14)0.0177 (14)
O60.056 (2)0.105 (3)0.104 (3)0.028 (2)0.039 (2)0.010 (2)
O70.0630 (19)0.0517 (16)0.0591 (18)0.0137 (14)0.0243 (15)0.0038 (14)
O80.063 (2)0.082 (2)0.0524 (17)0.0212 (17)0.0236 (15)0.0099 (16)
O90.089 (3)0.0559 (19)0.088 (2)0.0272 (19)0.003 (2)0.0185 (18)
O100.097 (3)0.066 (2)0.0470 (17)0.0309 (19)0.0129 (17)0.0098 (16)
O110.074 (2)0.0517 (18)0.0547 (18)0.0156 (15)0.0102 (16)0.0005 (14)
O120.095 (2)0.0515 (17)0.0433 (16)0.0010 (16)0.0159 (16)0.0053 (14)
N10.059 (2)0.052 (2)0.058 (2)0.0063 (18)0.0296 (19)0.0009 (17)
N20.045 (2)0.055 (2)0.057 (2)0.0013 (17)0.0177 (17)0.0090 (18)
N30.049 (2)0.047 (2)0.062 (2)0.0069 (16)0.0084 (18)0.0108 (17)
C10.041 (2)0.051 (2)0.042 (2)0.0053 (17)0.0118 (17)0.0065 (17)
C20.056 (3)0.049 (2)0.063 (3)0.011 (2)0.018 (2)0.004 (2)
C30.071 (3)0.060 (3)0.075 (3)0.020 (3)0.024 (3)0.011 (3)
C40.048 (3)0.111 (4)0.085 (4)0.024 (3)0.019 (3)0.026 (3)
C50.046 (3)0.093 (4)0.097 (4)0.005 (3)0.018 (3)0.029 (3)
C60.048 (2)0.064 (3)0.067 (3)0.006 (2)0.010 (2)0.016 (2)
C70.039 (2)0.057 (2)0.0354 (19)0.0033 (17)0.0083 (16)0.0000 (17)
C80.062 (3)0.060 (3)0.055 (3)0.005 (2)0.016 (2)0.004 (2)
C90.072 (3)0.091 (4)0.058 (3)0.011 (3)0.020 (3)0.015 (3)
C100.057 (3)0.120 (5)0.048 (3)0.004 (3)0.015 (2)0.020 (3)
C110.062 (3)0.111 (4)0.041 (2)0.001 (3)0.012 (2)0.011 (3)
C120.058 (3)0.073 (3)0.047 (2)0.008 (2)0.013 (2)0.004 (2)
C130.049 (2)0.042 (2)0.048 (2)0.0021 (18)0.0083 (18)0.0034 (18)
C140.075 (3)0.079 (3)0.062 (3)0.017 (3)0.026 (3)0.020 (3)
C150.090 (4)0.082 (4)0.071 (3)0.003 (3)0.014 (3)0.027 (3)
C160.075 (4)0.048 (3)0.095 (4)0.008 (3)0.003 (3)0.000 (3)
C170.061 (3)0.069 (3)0.103 (4)0.017 (3)0.015 (3)0.005 (3)
C180.051 (3)0.061 (3)0.067 (3)0.009 (2)0.018 (2)0.003 (2)
C190.042 (2)0.052 (2)0.041 (2)0.0069 (18)0.0062 (17)0.0013 (18)
C200.039 (2)0.136 (5)0.051 (3)0.003 (3)0.009 (2)0.018 (3)
C210.048 (3)0.165 (6)0.066 (3)0.004 (3)0.023 (3)0.006 (4)
C220.074 (3)0.109 (4)0.057 (3)0.021 (3)0.034 (3)0.005 (3)
C230.090 (4)0.101 (4)0.052 (3)0.009 (3)0.018 (3)0.017 (3)
C240.061 (3)0.083 (3)0.050 (3)0.001 (2)0.007 (2)0.014 (2)
C250.0312 (19)0.053 (2)0.042 (2)0.0010 (17)0.0055 (16)0.0070 (18)
C260.066 (3)0.054 (2)0.058 (3)0.003 (2)0.006 (2)0.000 (2)
C270.086 (4)0.054 (3)0.086 (4)0.013 (3)0.013 (3)0.005 (3)
C280.073 (3)0.087 (4)0.072 (3)0.016 (3)0.023 (3)0.033 (3)
C290.072 (3)0.097 (4)0.048 (3)0.023 (3)0.021 (2)0.017 (3)
C300.054 (3)0.073 (3)0.048 (2)0.015 (2)0.019 (2)0.007 (2)
C310.043 (2)0.043 (2)0.045 (2)0.0017 (17)0.0096 (17)0.0044 (17)
C320.062 (3)0.056 (3)0.076 (3)0.010 (2)0.019 (2)0.013 (2)
C330.075 (4)0.055 (3)0.091 (4)0.019 (3)0.014 (3)0.013 (3)
C340.091 (4)0.052 (3)0.077 (3)0.004 (3)0.014 (3)0.012 (2)
C350.082 (4)0.066 (3)0.088 (4)0.020 (3)0.031 (3)0.010 (3)
C360.049 (2)0.058 (3)0.070 (3)0.003 (2)0.015 (2)0.001 (2)
Geometric parameters (Å, º) top
Ce1—O12.369 (2)C14—C151.372 (7)
Ce1—O22.385 (2)C14—H140.9300
Ce1—O42.580 (3)C15—C161.371 (8)
Ce1—O52.596 (3)C15—H150.9300
Ce1—O72.549 (3)C16—C171.364 (8)
Ce1—O82.575 (3)C16—H160.9300
Ce1—O102.563 (3)C17—C181.384 (7)
Ce1—O112.572 (3)C17—H170.9300
Ce1—O122.515 (3)C18—H180.9300
Ce1—N22.980 (3)C19—C241.374 (6)
Ce1—N32.998 (3)C19—C201.375 (6)
Ce1—N13.008 (3)C20—C211.384 (6)
P1—O11.502 (3)C20—H200.9300
P1—C131.779 (4)C21—C221.359 (7)
P1—C11.793 (4)C21—H210.9300
P1—C71.806 (4)C22—C231.372 (7)
P2—O21.501 (3)C22—H220.9300
P2—C251.793 (4)C23—C241.389 (7)
P2—C191.795 (4)C23—H230.9300
P2—C311.799 (4)C24—H240.9300
O3—N11.224 (4)C25—C301.385 (5)
O4—N11.265 (4)C25—C261.405 (6)
O5—N11.259 (4)C26—C271.386 (6)
O6—N21.213 (4)C26—H260.9300
O7—N21.268 (4)C27—C281.376 (7)
O8—N21.270 (4)C27—H270.9300
O9—N31.217 (4)C28—C291.365 (7)
O10—N31.265 (4)C28—H280.9300
O11—N31.258 (4)C29—C301.373 (6)
O12—C37A1.436 (11)C29—H290.9300
O12—C37B1.469 (8)C30—H300.9300
C1—C61.388 (6)C31—C321.369 (6)
C1—C21.390 (5)C31—C361.390 (6)
C2—C31.390 (6)C32—C331.383 (6)
C2—H20.9300C32—H320.9300
C3—C41.356 (7)C33—C341.361 (7)
C3—H30.9300C33—H330.9300
C4—C51.388 (8)C34—C351.387 (8)
C4—H40.9300C34—H340.9300
C5—C61.388 (6)C35—C361.384 (6)
C5—H50.9300C35—H350.9300
C6—H60.9300C36—H360.9300
C7—C81.380 (6)C37A—C38A1.511 (14)
C7—C121.386 (6)C37A—H37A0.9700
C8—C91.378 (6)C37A—H37B0.9700
C8—H80.9300C38A—H38A0.9600
C9—C101.357 (7)C38A—H38B0.9600
C9—H90.9300C38A—H38C0.9600
C10—C111.372 (7)C37B—C38B1.501 (12)
C10—H100.9300C37B—H37C0.9700
C11—C121.382 (6)C37B—H37D0.9700
C11—H110.9300C38B—H38D0.9600
C12—H120.9300C38B—H38E0.9600
C13—C181.388 (5)C38B—H38F0.9600
C13—C141.398 (6)
O1—Ce1—O291.00 (9)C6—C5—H5120.4
O1—Ce1—O12151.50 (10)C4—C5—H5120.4
O2—Ce1—O1278.62 (10)C5—C6—C1120.4 (4)
O1—Ce1—O7125.36 (9)C5—C6—H6119.8
O2—Ce1—O777.69 (10)C1—C6—H6119.8
O12—Ce1—O778.63 (10)C8—C7—C12119.8 (4)
O1—Ce1—O1078.44 (10)C8—C7—P1119.5 (3)
O2—Ce1—O10153.49 (10)C12—C7—P1120.7 (3)
O12—Ce1—O10121.16 (10)C9—C8—C7120.1 (4)
O7—Ce1—O1088.63 (11)C9—C8—H8120.0
O1—Ce1—O11124.79 (10)C7—C8—H8120.0
O2—Ce1—O11143.67 (10)C10—C9—C8120.0 (5)
O12—Ce1—O1171.86 (10)C10—C9—H9120.0
O7—Ce1—O1176.16 (10)C8—C9—H9120.0
O10—Ce1—O1149.35 (10)C9—C10—C11120.8 (4)
O1—Ce1—O875.45 (9)C9—C10—H10119.6
O2—Ce1—O878.91 (10)C11—C10—H10119.6
O12—Ce1—O8127.08 (10)C10—C11—C12120.1 (5)
O7—Ce1—O849.97 (9)C10—C11—H11120.0
O10—Ce1—O874.93 (11)C12—C11—H11120.0
O11—Ce1—O8102.36 (11)C11—C12—C7119.3 (5)
O1—Ce1—O479.59 (10)C11—C12—H12120.4
O2—Ce1—O4126.02 (9)C7—C12—H12120.4
O12—Ce1—O485.22 (10)C18—C13—C14118.2 (4)
O7—Ce1—O4147.99 (10)C18—C13—P1122.7 (3)
O10—Ce1—O476.32 (11)C14—C13—P1119.0 (3)
O11—Ce1—O472.59 (10)C15—C14—C13120.7 (5)
O8—Ce1—O4144.99 (10)C15—C14—H14119.7
O1—Ce1—O578.23 (9)C13—C14—H14119.7
O2—Ce1—O576.78 (9)C16—C15—C14120.0 (5)
O12—Ce1—O573.59 (10)C16—C15—H15120.0
O7—Ce1—O5145.28 (9)C14—C15—H15120.0
O10—Ce1—O5123.55 (11)C17—C16—C15120.6 (5)
O11—Ce1—O5113.32 (10)C17—C16—H16119.7
O8—Ce1—O5143.55 (10)C15—C16—H16119.7
O4—Ce1—O549.24 (9)C16—C17—C18120.0 (5)
O1—Ce1—N2100.36 (9)C16—C17—H17120.0
O2—Ce1—N275.29 (9)C18—C17—H17120.0
O12—Ce1—N2102.46 (10)C17—C18—C13120.5 (5)
O7—Ce1—N225.00 (9)C17—C18—H18119.7
O10—Ce1—N282.72 (11)C13—C18—H18119.7
O11—Ce1—N290.68 (10)C24—C19—C20118.5 (4)
O8—Ce1—N225.09 (9)C24—C19—P2117.5 (3)
O4—Ce1—N2158.64 (9)C20—C19—P2123.9 (3)
O5—Ce1—N2152.01 (9)C19—C20—C21120.5 (4)
O1—Ce1—N3101.78 (10)C19—C20—H20119.7
O2—Ce1—N3159.45 (9)C21—C20—H20119.7
O12—Ce1—N396.44 (10)C22—C21—C20120.9 (5)
O7—Ce1—N381.78 (10)C22—C21—H21119.5
O10—Ce1—N324.75 (9)C20—C21—H21119.5
O11—Ce1—N324.61 (9)C21—C22—C23119.0 (4)
O8—Ce1—N388.70 (11)C21—C22—H22120.5
O4—Ce1—N372.72 (9)C23—C22—H22120.5
O5—Ce1—N3121.32 (9)C22—C23—C24120.4 (5)
N2—Ce1—N386.52 (9)C22—C23—H23119.8
O1—Ce1—N177.58 (9)C24—C23—H23119.8
O2—Ce1—N1101.35 (10)C19—C24—C23120.5 (5)
O12—Ce1—N178.58 (10)C19—C24—H24119.7
O7—Ce1—N1156.90 (9)C23—C24—H24119.7
O10—Ce1—N1100.00 (11)C30—C25—C26118.4 (4)
O11—Ce1—N193.20 (10)C30—C25—P2122.2 (3)
O8—Ce1—N1153.03 (10)C26—C25—P2119.3 (3)
O4—Ce1—N124.67 (9)C27—C26—C25119.5 (4)
O5—Ce1—N124.57 (9)C27—C26—H26120.3
N2—Ce1—N1176.11 (9)C25—C26—H26120.3
N3—Ce1—N197.12 (10)C28—C27—C26120.3 (5)
O1—P1—C13112.32 (17)C28—C27—H27119.8
O1—P1—C1110.42 (16)C26—C27—H27119.8
C13—P1—C1108.68 (18)C29—C28—C27120.6 (5)
O1—P1—C7109.63 (17)C29—C28—H28119.7
C13—P1—C7107.30 (18)C27—C28—H28119.7
C1—P1—C7108.37 (18)C28—C29—C30119.7 (5)
O2—P2—C25113.00 (16)C28—C29—H29120.1
O2—P2—C19111.27 (16)C30—C29—H29120.1
C25—P2—C19107.84 (18)C29—C30—C25121.5 (4)
O2—P2—C31110.44 (17)C29—C30—H30119.2
C25—P2—C31107.07 (18)C25—C30—H30119.2
C19—P2—C31106.95 (18)C32—C31—C36119.7 (4)
P1—O1—Ce1167.25 (17)C32—C31—P2121.7 (3)
P2—O2—Ce1164.39 (17)C36—C31—P2118.5 (3)
N1—O4—Ce197.0 (2)C31—C32—C33120.1 (5)
N1—O5—Ce196.4 (2)C31—C32—H32120.0
N2—O7—Ce196.9 (2)C33—C32—H32120.0
N2—O8—Ce195.6 (2)C34—C33—C32121.1 (5)
N3—O10—Ce197.3 (2)C34—C33—H33119.5
N3—O11—Ce197.0 (2)C32—C33—H33119.5
C37A—O12—C37B30.6 (6)C33—C34—C35119.2 (5)
C37A—O12—Ce1132.9 (6)C33—C34—H34120.4
C37B—O12—Ce1126.5 (4)C35—C34—H34120.4
O3—N1—O5121.2 (4)C36—C35—C34120.4 (5)
O3—N1—O4121.4 (4)C36—C35—H35119.8
O5—N1—O4117.4 (3)C34—C35—H35119.8
O3—N1—Ce1179.8 (3)C35—C36—C31119.6 (4)
O5—N1—Ce159.05 (18)C35—C36—H36120.2
O4—N1—Ce158.34 (18)C31—C36—H36120.2
O6—N2—O7121.0 (4)O12—C37A—C38A114.0 (10)
O6—N2—O8122.0 (4)O12—C37A—H37A108.8
O7—N2—O8117.0 (3)C38A—C37A—H37A108.8
O6—N2—Ce1173.8 (3)O12—C37A—H37B108.8
O7—N2—Ce158.13 (18)C38A—C37A—H37B108.8
O8—N2—Ce159.30 (18)H37A—C37A—H37B107.7
O9—N3—O11121.7 (4)C37A—C38A—H38A109.5
O9—N3—O10121.9 (4)C37A—C38A—H38B109.5
O11—N3—O10116.3 (3)H38A—C38A—H38B109.5
O9—N3—Ce1178.5 (3)C37A—C38A—H38C109.5
O11—N3—Ce158.35 (18)H38A—C38A—H38C109.5
O10—N3—Ce157.98 (18)H38B—C38A—H38C109.5
C6—C1—C2119.3 (4)O12—C37B—C38B108.3 (8)
C6—C1—P1118.4 (3)O12—C37B—H37C110.0
C2—C1—P1122.3 (3)C38B—C37B—H37C110.0
C3—C2—C1119.9 (4)O12—C37B—H37D110.0
C3—C2—H2120.1C38B—C37B—H37D110.0
C1—C2—H2120.1H37C—C37B—H37D108.4
C4—C3—C2120.3 (5)C37B—C38B—H38D109.5
C4—C3—H3119.8C37B—C38B—H38E109.5
C2—C3—H3119.8H38D—C38B—H38E109.5
C3—C4—C5120.9 (5)C37B—C38B—H38F109.5
C3—C4—H4119.6H38D—C38B—H38F109.5
C5—C4—H4119.6H38E—C38B—H38F109.5
C6—C5—C4119.2 (5)
 

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